secnidazole

CHEBI:140628 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively. It is a drug used for the treatment of trichomoniasis caused by Trichomonas vaginalis. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:24780
Label unavailable CHEBI:35681
Label unavailable CHEBI:35716

Chemical structure

Computed structure properties
Molecular formula	C7H11N3O3
Charge	0
Average mass	185.183 Da
Monoisotopic mass	185.08004 Da
Source	ChEBI
InChIKey	KPQZUUQMTUIKBP-UHFFFAOYSA-N

SMILES

Cc1ncc([N+](=O)[O-])n1CC(C)O

InChI

InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3

Also called

Flagentyl (BRAND_NAME)— chebi
Secnidal (BRAND_NAME)— chebi
Solosec (BRAND_NAME)— chebi
secnidazol (INN)— chebi
secnidazolum (INN)— chebi
1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol (EXACT_SYNONYM)— chebi
1-(2-methyl-5-nitro-1-imidazolyl)-2-propanol (EXACT_SYNONYM)— chebi
PM-185184 (EXACT_SYNONYM)— chebi
RP 14539 (EXACT_SYNONYM)— chebi
RP-14539 (EXACT_SYNONYM)— chebi
SYM-1219 (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

Drug registries

Identifiers that name a drug rather than a structure. One of these can cover a parent compound, its salts and its stereoisomers, which this corpus keeps as separate records, so it is not an equivalence of structure.

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

antibacterial agent CHEBI:33282
antiprotozoal drug CHEBI:35820

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:140628`	secnidazole	`antibioticmech:chebi-3f161bf2e3`	2026-08-30

Mechanism summary

Clinical status: APPROVED

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-31 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-31 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-09-10 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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